Related papers: Relating electronic structure to thermoelectric de…
Recent trends of ab initio studies and progress in methodologies for electronic structure calculations of strongly correlated electron systems are discussed. The interest for developing efficient methods is motivated by recent discoveries…
Assuming diffusive carrier transport and employing an effective medium theory, we calculate the temperature dependence of bilayer graphene conductivity due to Fermi-surface broadening as a function of carrier density. We find that the…
To increase the performance of thermoelectric materials, the electronic parameters in the figure of merit must be improved. In this paper, we use full, numerical band structures and solve the Boltzmann equation in the relaxation time…
Non-Fourier heat conduction models assume wave-like behavior does exist in the heat conduction process. Based on this wave-like behavior, thermal conduction controlled in a one-dimensional periodical structure, named thermal wave crystal,…
The majority of quantum simulators treat simplified one-band strongly correlated models, whereas multiple bands are needed to describe materials with intermediate correlation. We investigate the sensitivity of multiband quantum simulators…
Electronic band structures for Ba$_{6}$Ge$_{25}$ and Ba$_{4}$Na$_{2}$Ge$_{25}$ clathrates are calculated using linear muffin-tin orbital method within the local density approximation. It is found that barium states strongly contribute to…
Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb$_2$Te$_3$ films are presented. The thickness-dependent electrical conductivity and the…
Most spectroscopic methods for studying the electronic structure of metal surfaces have the disadvantage that either only occupied or only unoccupied states can be probed, and the signal is cut at the Fermi edge. This leads to significant…
The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…
Density Functional Tight-Binding (DFTB), an approximative approach derived from Density Functional Theory (DFT), has the potential to pave the way for simulations of large periodic or non-periodic systems. We have specifically tailored DFTB…
Our paper presents a non-destructive thermal transient measurement method that is able to reveal differences even in the micron size range of MEMS structures. Devices of the same design can have differences in their sacrificial layers as…
The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local density approximation band-structure Hamiltonian. The Hubbard term is then solved either at the…
Enhancing band convergence is an effective way to optimize the thermoelectric (TE) properties of materials. However, the temperature-induced band renormalization is commonly ignored. By employing the recently-developed electron-phonon…
For the ideal Fermi gas that fills the space inside a cylindrical tube, there are calculated the thermodynamic characteristics in general form for arbitrary temperatures, namely: the thermodynamic potential, energy, entropy, equations of…
This paper presents a study of accuracy issues in thermal modeling of high power LED modules on system level. Both physical as well as numerical accuracy issues are addressed. Incorrect physical assumptions may result in seemingly correct,…
As shown in our previous studies, geometrical field grading techniques such as stacked and protruding substrate designs cannot well mitigate high electric stress issue within power electronics modules. However, it was shown that a…
In this work we have done phenomenology based model calculations for some of the thermodynamic and electrodynamic properties of the strongly correlated superconductors of Cuprate type. The method involves the application of the theoretical…
The charge transport mechanism and the macroscopic dielectric constant in polycrystalline device materials commonly exhibit several components such as electrode-sample interface, grain boundary and bulk contributions. In order to gain…
The optimal design of power converters requires accurate knowledge of the dissipation elements of its system to achieve the desired performance and security requirements. Calorimetric methods have surpassed classical electrical methods for…
The conductivity tensor is introduced for the low-dimensional electron systems. Within the particle-in-a-box model and the diagonal response approximation, components of the conductivity tensor for a quasi-homogeneous ultrathin metal film…